5-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole
Chemical Structure Depiction of
5-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole
5-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | 5532-1177 |
| Compound Name: | 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole |
| Molecular Weight: | 359.77 |
| Molecular Formula: | C17 H14 Cl N3 O4 |
| Smiles: | Cc1cc(cc(C)c1[Cl])OCc1nc(c2cccc(c2)[N+]([O-])=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 5.5825 |
| logD: | 5.5825 |
| logSw: | -6.1624 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.19 |
| InChI Key: | SIXJACBODLOHGI-UHFFFAOYSA-N |